2-[[4-(3,4-dimethoxyphenyl)furan-2-carbonyl]amino]-3-phenylmethoxypropanoic acid

C23H23NO7 — CID 56596925

IUPAC2-[[4-(3,4-dimethoxyphenyl)furan-2-carbonyl]amino]-3-phenylmethoxypropanoic acid
SMILESCOc1ccc(-c2coc(C(=O)NC(COCc3ccccc3)C(=O)O)c2)cc1OC
InChIInChI=1S/C23H23NO7/c1-28-19-9-8-16(10-20(19)29-2)17-11-21(31-13-17)22(25)24-18(23(26)27)14-30-12-15-6-4-3-5-7-15/h3-11,13,18H,12,14H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyGZOCYOIRDSLGLQ-UHFFFAOYSA-N
MW425.44 g/mol
LogP3.36
Rot. Bonds10

About 2-[[4-(3,4-dimethoxyphenyl)furan-2-carbonyl]amino]-3-phenylmethoxypropanoic acid

2-[[4-(3,4-dimethoxyphenyl)furan-2-carbonyl]amino]-3-phenylmethoxypropanoic acid (PubChem CID 56596925) has the molecular formula C23H23NO7 and a molecular weight of 425.44 g/mol. Its IUPAC name is 2-[[4-(3,4-dimethoxyphenyl)furan-2-carbonyl]amino]-3-phenylmethoxypropanoic acid.

Molecular Properties

Compound Name2-[[4-(3,4-dimethoxyphenyl)furan-2-carbonyl]amino]-3-phenylmethoxypropanoic acid
PubChem CID56596925
Molecular FormulaC23H23NO7
Molecular Weight425.44 g/mol
Exact Mass425.15
IUPAC Name2-[[4-(3,4-dimethoxyphenyl)furan-2-carbonyl]amino]-3-phenylmethoxypropanoic acid
SMILESCOc1ccc(-c2coc(C(=O)NC(COCc3ccccc3)C(=O)O)c2)cc1OC
InChIInChI=1S/C23H23NO7/c1-28-19-9-8-16(10-20(19)29-2)17-11-21(31-13-17)22(25)24-18(23(26)27)14-30-12-15-6-4-3-5-7-15/h3-11,13,18H,12,14H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyGZOCYOIRDSLGLQ-UHFFFAOYSA-N
XLogP3.36
TPSA107.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-(2-hydroxyphenyl)furan-2-carbonyl]amino]-3-phenylmethoxypropanoic acid
CID 56596844
(2S)-3-phenylmethoxy-2-[(4-pyridin-3-ylfuran-2-carbonyl)amino]propanoic acid
CID 70652014
N-(1,1-dihydroxy-3-phenylmethoxypropan-2-yl)-4-(3-methoxyphenyl)furan-2-carboxamide
CID 123212371
(2R)-2-(2,2-dimethylpropanoylamino)-3-phenylmethoxypropanoic acid
CID 59970231
methyl (2S)-2-benzamido-3-phenylmethoxypropanoate
CID 10870709
(2S)-2-(2-bromopropanoylamino)-3-phenylmethoxypropanoic acid
CID 141127685
2-acetamido-3-[(3-methoxyphenyl)methoxy]propanoic acid
CID 65443170
(2S)-3-(4-hydroxyphenyl)-2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]propanoic acid
CID 2577208
(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-phenylmethoxypropanoic acid
CID 71421898
2-[(5-cyano-1-benzofuran-2-carbonyl)amino]-3-phenylmethoxypropanoic acid
CID 56596693
(3S)-3-[(3,4-dimethoxybenzoyl)amino]-4-oxo-4-phenylmethoxybutanoic acid;hydrochloride
CID 175958288
2-anilino-3-phenylmethoxypropanoic acid
CID 154530203

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3,4-dimethoxyphenyl)furan-2-carbonyl]amino]-3-phenylmethoxypropanoic acid?
The IUPAC name of 2-[[4-(3,4-dimethoxyphenyl)furan-2-carbonyl]amino]-3-phenylmethoxypropanoic acid (CID 56596925) is 2-[[4-(3,4-dimethoxyphenyl)furan-2-carbonyl]amino]-3-phenylmethoxypropanoic acid.
What is the SMILES notation for 2-[[4-(3,4-dimethoxyphenyl)furan-2-carbonyl]amino]-3-phenylmethoxypropanoic acid?
The canonical SMILES for 2-[[4-(3,4-dimethoxyphenyl)furan-2-carbonyl]amino]-3-phenylmethoxypropanoic acid is COc1ccc(-c2coc(C(=O)NC(COCc3ccccc3)C(=O)O)c2)cc1OC.
What is the InChIKey of 2-[[4-(3,4-dimethoxyphenyl)furan-2-carbonyl]amino]-3-phenylmethoxypropanoic acid?
The InChIKey is GZOCYOIRDSLGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO7/c1-28-19-9-8-16(10-20(19)29-2)17-11-21(31-13-17)22(25)24-18(23(26)27)14-30-12-15-6-4-3-5-7-15/h3-11,13,18H,12,14H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of 2-[[4-(3,4-dimethoxyphenyl)furan-2-carbonyl]amino]-3-phenylmethoxypropanoic acid?
2-[[4-(3,4-dimethoxyphenyl)furan-2-carbonyl]amino]-3-phenylmethoxypropanoic acid has a molecular weight of 425.44 g/mol, XLogP of 3.36, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3,4-dimethoxyphenyl)furan-2-carbonyl]amino]-3-phenylmethoxypropanoic acid is sourced from PubChem (CID 56596925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).